USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.17) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 48 LYS NZ :NH3+ 137:sc= 0.56 (180deg=0) USER MOD Set 2.2: A 50 TYR OH : rot 150:sc= -0.546 USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -0.0747 (180deg=-0.488) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -0.0665 (180deg=-0.441) USER MOD Single : A 39 MET CE :methyl 175:sc= 0 (180deg=-0.0351) USER MOD Single : A 54 ASN : amide:sc= -2.12! C(o=-2.1!,f=-4.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.19 USER MOD Single : A 68 MET CE :methyl 135:sc= -1.82 (180deg=-3.15) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0392 F(o=-0.56,f=-0.039) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0.00677 USER MOD Single : A 75 ASN : amide:sc= -2.42! X(o=-2.4!,f=-2.6) USER MOD Single : A 81 SER OG : rot 18:sc= 0.203 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.559 8.848 1.982 1.00 0.00 N ATOM 60 CA GLY A 7 -0.978 7.518 1.984 1.00 0.00 C ATOM 61 C GLY A 7 -1.490 6.663 3.127 1.00 0.00 C ATOM 62 O GLY A 7 -2.340 7.099 3.904 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.202 7.026 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.107 7.599 2.053 1.00 0.00 H new ATOM 66 N ILE A 8 -0.972 5.444 3.229 1.00 0.00 N ATOM 67 CA ILE A 8 -1.382 4.527 4.285 1.00 0.00 C ATOM 68 C ILE A 8 -0.174 3.970 5.030 1.00 0.00 C ATOM 69 O ILE A 8 0.839 3.626 4.421 1.00 0.00 O ATOM 70 CB ILE A 8 -2.210 3.356 3.724 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.427 2.628 2.630 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.541 3.858 3.185 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.873 1.198 2.417 1.00 0.00 C ATOM 0 H ILE A 8 -0.268 5.069 2.594 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.000 5.099 4.977 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.410 2.652 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.532 3.176 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.368 2.635 2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.114 3.018 2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.102 4.336 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.362 4.580 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.275 0.744 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.742 0.635 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.924 1.184 2.129 1.00 0.00 H new ATOM 85 N PHE A 9 -0.288 3.881 6.351 1.00 0.00 N ATOM 86 CA PHE A 9 0.795 3.365 7.179 1.00 0.00 C ATOM 87 C PHE A 9 0.533 1.914 7.574 1.00 0.00 C ATOM 88 O PHE A 9 -0.578 1.557 7.966 1.00 0.00 O ATOM 89 CB PHE A 9 0.960 4.224 8.434 1.00 0.00 C ATOM 90 CG PHE A 9 1.857 3.608 9.469 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.209 3.435 9.220 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.347 3.200 10.692 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.037 2.868 10.171 1.00 0.00 C ATOM 94 CE2 PHE A 9 2.171 2.633 11.646 1.00 0.00 C ATOM 95 CZ PHE A 9 3.517 2.466 11.385 1.00 0.00 C ATOM 0 H PHE A 9 -1.120 4.160 6.871 1.00 0.00 H new ATOM 0 HA PHE A 9 1.715 3.405 6.596 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.362 5.196 8.149 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.021 4.402 8.874 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.621 3.747 8.272 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.295 3.327 10.901 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.089 2.740 9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.762 2.321 12.596 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.161 2.022 12.129 1.00 0.00 H new ATOM 105 N ILE A 10 1.564 1.083 7.466 1.00 0.00 N ATOM 106 CA ILE A 10 1.446 -0.328 7.811 1.00 0.00 C ATOM 107 C ILE A 10 2.516 -0.739 8.817 1.00 0.00 C ATOM 108 O ILE A 10 3.615 -0.186 8.831 1.00 0.00 O ATOM 109 CB ILE A 10 1.559 -1.225 6.564 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.481 -0.854 5.544 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.446 -2.691 6.954 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.892 -1.110 4.110 1.00 0.00 C ATOM 0 H ILE A 10 2.490 1.362 7.142 1.00 0.00 H new ATOM 0 HA ILE A 10 0.460 -0.462 8.256 1.00 0.00 H new ATOM 0 HB ILE A 10 2.536 -1.066 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.424 -1.422 5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.231 0.201 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.528 -3.312 6.062 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.247 -2.946 7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.482 -2.867 7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.079 -0.824 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.779 -0.522 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.114 -2.169 3.979 1.00 0.00 H new ATOM 124 N GLY A 11 2.187 -1.715 9.658 1.00 0.00 N ATOM 125 CA GLY A 11 3.131 -2.185 10.655 1.00 0.00 C ATOM 126 C GLY A 11 2.973 -3.663 10.951 1.00 0.00 C ATOM 127 O GLY A 11 1.909 -4.238 10.728 1.00 0.00 O ATOM 0 H GLY A 11 1.284 -2.188 9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.146 -1.994 10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.996 -1.617 11.575 1.00 0.00 H new ATOM 131 N ASN A 12 4.037 -4.281 11.454 1.00 0.00 N ATOM 132 CA ASN A 12 4.013 -5.703 11.778 1.00 0.00 C ATOM 133 C ASN A 12 4.082 -6.551 10.512 1.00 0.00 C ATOM 134 O ASN A 12 3.229 -7.410 10.280 1.00 0.00 O ATOM 135 CB ASN A 12 2.748 -6.046 12.568 1.00 0.00 C ATOM 136 CG ASN A 12 2.960 -7.203 13.525 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.966 -8.419 12.991 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 3.116 -7.005 14.730 1.00 0.00 N flip ATOM 0 H ASN A 12 4.926 -3.820 11.646 1.00 0.00 H new ATOM 0 HA ASN A 12 4.887 -5.926 12.390 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.424 -5.169 13.129 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.946 -6.295 11.874 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.104 -6.053 15.096 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.257 -7.793 15.362 1.00 0.00 H new ATOM 145 N LEU A 13 5.101 -6.306 9.697 1.00 0.00 N ATOM 146 CA LEU A 13 5.282 -7.047 8.453 1.00 0.00 C ATOM 147 C LEU A 13 6.417 -8.058 8.583 1.00 0.00 C ATOM 148 O LEU A 13 7.537 -7.705 8.954 1.00 0.00 O ATOM 149 CB LEU A 13 5.570 -6.085 7.300 1.00 0.00 C ATOM 150 CG LEU A 13 4.365 -5.328 6.741 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.816 -4.082 5.995 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.545 -6.229 5.829 1.00 0.00 C ATOM 0 H LEU A 13 5.815 -5.600 9.875 1.00 0.00 H new ATOM 0 HA LEU A 13 4.359 -7.588 8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.307 -5.356 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.028 -6.650 6.488 1.00 0.00 H new ATOM 0 HG LEU A 13 3.736 -5.019 7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.945 -3.556 5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.360 -3.427 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.467 -4.368 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.692 -5.673 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.165 -6.568 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.190 -7.091 6.393 1.00 0.00 H new ATOM 164 N ASP A 14 6.121 -9.315 8.272 1.00 0.00 N ATOM 165 CA ASP A 14 7.117 -10.377 8.350 1.00 0.00 C ATOM 166 C ASP A 14 8.403 -9.970 7.636 1.00 0.00 C ATOM 167 O ASP A 14 8.382 -9.350 6.573 1.00 0.00 O ATOM 168 CB ASP A 14 6.568 -11.667 7.739 1.00 0.00 C ATOM 169 CG ASP A 14 7.255 -12.904 8.284 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.897 -13.340 9.398 1.00 0.00 O ATOM 171 OD2 ASP A 14 8.151 -13.436 7.595 1.00 0.00 O ATOM 0 H ASP A 14 5.199 -9.624 7.963 1.00 0.00 H new ATOM 0 HA ASP A 14 7.345 -10.550 9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.498 -11.732 7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.691 -11.634 6.656 1.00 0.00 H new ATOM 176 N PRO A 15 9.550 -10.324 8.234 1.00 0.00 N ATOM 177 CA PRO A 15 10.866 -10.006 7.674 1.00 0.00 C ATOM 178 C PRO A 15 11.166 -10.802 6.408 1.00 0.00 C ATOM 179 O PRO A 15 12.181 -10.578 5.750 1.00 0.00 O ATOM 180 CB PRO A 15 11.833 -10.398 8.794 1.00 0.00 C ATOM 181 CG PRO A 15 11.105 -11.436 9.576 1.00 0.00 C ATOM 182 CD PRO A 15 9.650 -11.065 9.503 1.00 0.00 C ATOM 0 HA PRO A 15 10.939 -8.960 7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.768 -10.788 8.392 1.00 0.00 H new ATOM 0 HB3 PRO A 15 12.088 -9.540 9.416 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.276 -12.429 9.160 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.450 -11.459 10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.010 -11.947 9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.349 -10.451 10.352 1.00 0.00 H new ATOM 190 N GLU A 16 10.275 -11.730 6.074 1.00 0.00 N ATOM 191 CA GLU A 16 10.446 -12.559 4.887 1.00 0.00 C ATOM 192 C GLU A 16 9.775 -11.919 3.675 1.00 0.00 C ATOM 193 O GLU A 16 10.131 -12.206 2.532 1.00 0.00 O ATOM 194 CB GLU A 16 9.868 -13.956 5.125 1.00 0.00 C ATOM 195 CG GLU A 16 8.372 -14.046 4.876 1.00 0.00 C ATOM 196 CD GLU A 16 7.784 -15.368 5.329 1.00 0.00 C ATOM 197 OE1 GLU A 16 7.972 -16.377 4.617 1.00 0.00 O ATOM 198 OE2 GLU A 16 7.135 -15.394 6.396 1.00 0.00 O ATOM 0 H GLU A 16 9.428 -11.926 6.608 1.00 0.00 H new ATOM 0 HA GLU A 16 11.514 -12.645 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.379 -14.667 4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.076 -14.256 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.871 -13.231 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.176 -13.911 3.812 1.00 0.00 H new ATOM 205 N ILE A 17 8.802 -11.052 3.934 1.00 0.00 N ATOM 206 CA ILE A 17 8.082 -10.371 2.866 1.00 0.00 C ATOM 207 C ILE A 17 9.001 -9.428 2.096 1.00 0.00 C ATOM 208 O ILE A 17 10.009 -8.958 2.625 1.00 0.00 O ATOM 209 CB ILE A 17 6.887 -9.569 3.415 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.910 -10.498 4.138 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.185 -8.826 2.288 1.00 0.00 C ATOM 212 CD1 ILE A 17 5.162 -9.827 5.268 1.00 0.00 C ATOM 0 H ILE A 17 8.494 -10.805 4.875 1.00 0.00 H new ATOM 0 HA ILE A 17 7.712 -11.144 2.193 1.00 0.00 H new ATOM 0 HB ILE A 17 7.259 -8.836 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.191 -10.887 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.459 -11.353 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.343 -8.264 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.886 -8.139 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.823 -9.542 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.488 -10.545 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.873 -9.462 6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.585 -8.990 4.876 1.00 0.00 H new ATOM 224 N ASP A 18 8.647 -9.156 0.845 1.00 0.00 N ATOM 225 CA ASP A 18 9.438 -8.267 0.003 1.00 0.00 C ATOM 226 C ASP A 18 8.539 -7.305 -0.767 1.00 0.00 C ATOM 227 O ASP A 18 7.364 -7.589 -0.998 1.00 0.00 O ATOM 228 CB ASP A 18 10.291 -9.079 -0.973 1.00 0.00 C ATOM 229 CG ASP A 18 10.801 -10.369 -0.361 1.00 0.00 C ATOM 230 OD1 ASP A 18 9.967 -11.231 -0.013 1.00 0.00 O ATOM 231 OD2 ASP A 18 12.034 -10.517 -0.229 1.00 0.00 O ATOM 0 H ASP A 18 7.817 -9.539 0.392 1.00 0.00 H new ATOM 0 HA ASP A 18 10.094 -7.684 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.702 -9.309 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.138 -8.476 -1.300 1.00 0.00 H new ATOM 236 N GLU A 19 9.100 -6.165 -1.161 1.00 0.00 N ATOM 237 CA GLU A 19 8.347 -5.161 -1.903 1.00 0.00 C ATOM 238 C GLU A 19 7.450 -5.816 -2.949 1.00 0.00 C ATOM 239 O GLU A 19 6.292 -5.435 -3.117 1.00 0.00 O ATOM 240 CB GLU A 19 9.301 -4.174 -2.579 1.00 0.00 C ATOM 241 CG GLU A 19 9.846 -3.112 -1.638 1.00 0.00 C ATOM 242 CD GLU A 19 11.138 -3.537 -0.967 1.00 0.00 C ATOM 243 OE1 GLU A 19 11.384 -4.757 -0.873 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.902 -2.649 -0.535 1.00 0.00 O ATOM 0 H GLU A 19 10.072 -5.915 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 19 7.717 -4.621 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.135 -4.726 -3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.781 -3.685 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.016 -2.191 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.100 -2.890 -0.875 1.00 0.00 H new ATOM 251 N LYS A 20 7.994 -6.805 -3.651 1.00 0.00 N ATOM 252 CA LYS A 20 7.245 -7.515 -4.681 1.00 0.00 C ATOM 253 C LYS A 20 5.910 -8.013 -4.136 1.00 0.00 C ATOM 254 O LYS A 20 4.846 -7.592 -4.593 1.00 0.00 O ATOM 255 CB LYS A 20 8.063 -8.694 -5.213 1.00 0.00 C ATOM 256 CG LYS A 20 7.785 -9.018 -6.671 1.00 0.00 C ATOM 257 CD LYS A 20 9.039 -9.492 -7.386 1.00 0.00 C ATOM 258 CE LYS A 20 10.024 -8.353 -7.597 1.00 0.00 C ATOM 259 NZ LYS A 20 9.452 -7.276 -8.451 1.00 0.00 N ATOM 0 H LYS A 20 8.952 -7.133 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 20 7.048 -6.820 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.124 -8.472 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.852 -9.575 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.016 -9.788 -6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.391 -8.134 -7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.514 -10.282 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.769 -9.924 -8.350 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.310 -7.937 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.932 -8.739 -8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.222 -6.692 -8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.916 -7.702 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.818 -6.681 -7.881 1.00 0.00 H new ATOM 273 N LEU A 21 5.973 -8.910 -3.158 1.00 0.00 N ATOM 274 CA LEU A 21 4.768 -9.464 -2.550 1.00 0.00 C ATOM 275 C LEU A 21 3.798 -8.355 -2.154 1.00 0.00 C ATOM 276 O LEU A 21 2.687 -8.271 -2.679 1.00 0.00 O ATOM 277 CB LEU A 21 5.132 -10.302 -1.323 1.00 0.00 C ATOM 278 CG LEU A 21 4.077 -11.308 -0.861 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.902 -12.411 -1.894 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.456 -11.896 0.490 1.00 0.00 C ATOM 0 H LEU A 21 6.845 -9.269 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 21 4.279 -10.102 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.053 -10.844 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.347 -9.625 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 21 3.127 -10.785 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.147 -13.117 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.584 -11.975 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.849 -12.932 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.694 -12.610 0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.417 -12.404 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.529 -11.096 1.227 1.00 0.00 H new ATOM 292 N LEU A 22 4.227 -7.506 -1.227 1.00 0.00 N ATOM 293 CA LEU A 22 3.397 -6.400 -0.762 1.00 0.00 C ATOM 294 C LEU A 22 2.644 -5.757 -1.922 1.00 0.00 C ATOM 295 O LEU A 22 1.428 -5.574 -1.861 1.00 0.00 O ATOM 296 CB LEU A 22 4.260 -5.351 -0.056 1.00 0.00 C ATOM 297 CG LEU A 22 4.565 -5.616 1.419 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.642 -4.666 1.919 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.302 -5.482 2.257 1.00 0.00 C ATOM 0 H LEU A 22 5.144 -7.562 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 22 2.668 -6.798 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.205 -5.266 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.761 -4.385 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 22 4.935 -6.637 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.846 -4.869 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.553 -4.810 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.300 -3.637 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.538 -5.674 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.902 -4.473 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.560 -6.203 1.914 1.00 0.00 H new ATOM 311 N TYR A 23 3.374 -5.420 -2.980 1.00 0.00 N ATOM 312 CA TYR A 23 2.775 -4.798 -4.155 1.00 0.00 C ATOM 313 C TYR A 23 1.563 -5.592 -4.633 1.00 0.00 C ATOM 314 O TYR A 23 0.500 -5.027 -4.891 1.00 0.00 O ATOM 315 CB TYR A 23 3.805 -4.691 -5.281 1.00 0.00 C ATOM 316 CG TYR A 23 3.258 -4.063 -6.543 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.337 -4.738 -7.335 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.663 -2.797 -6.945 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.835 -4.168 -8.490 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.166 -2.219 -8.097 1.00 0.00 C ATOM 321 CZ TYR A 23 2.252 -2.909 -8.866 1.00 0.00 C ATOM 322 OH TYR A 23 1.755 -2.337 -10.015 1.00 0.00 O ATOM 0 H TYR A 23 4.381 -5.567 -3.048 1.00 0.00 H new ATOM 0 HA TYR A 23 2.444 -3.797 -3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.654 -4.104 -4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.181 -5.687 -5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.008 -5.724 -7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.380 -2.254 -6.346 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.120 -4.706 -9.095 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.491 -1.233 -8.394 1.00 0.00 H new ATOM 0 HH TYR A 23 2.150 -1.448 -10.135 1.00 0.00 H new ATOM 332 N ASP A 24 1.731 -6.904 -4.747 1.00 0.00 N ATOM 333 CA ASP A 24 0.651 -7.777 -5.192 1.00 0.00 C ATOM 334 C ASP A 24 -0.412 -7.922 -4.108 1.00 0.00 C ATOM 335 O ASP A 24 -1.575 -7.572 -4.311 1.00 0.00 O ATOM 336 CB ASP A 24 1.202 -9.153 -5.571 1.00 0.00 C ATOM 337 CG ASP A 24 1.857 -9.158 -6.938 1.00 0.00 C ATOM 338 OD1 ASP A 24 1.243 -8.636 -7.892 1.00 0.00 O ATOM 339 OD2 ASP A 24 2.984 -9.684 -7.054 1.00 0.00 O ATOM 0 H ASP A 24 2.605 -7.387 -4.538 1.00 0.00 H new ATOM 0 HA ASP A 24 0.190 -7.325 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.928 -9.469 -4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.392 -9.882 -5.557 1.00 0.00 H new ATOM 344 N THR A 25 -0.006 -8.442 -2.953 1.00 0.00 N ATOM 345 CA THR A 25 -0.924 -8.636 -1.837 1.00 0.00 C ATOM 346 C THR A 25 -1.916 -7.483 -1.735 1.00 0.00 C ATOM 347 O THR A 25 -3.101 -7.692 -1.475 1.00 0.00 O ATOM 348 CB THR A 25 -0.165 -8.766 -0.503 1.00 0.00 C ATOM 349 OG1 THR A 25 0.815 -9.806 -0.596 1.00 0.00 O ATOM 350 CG2 THR A 25 -1.126 -9.068 0.638 1.00 0.00 C ATOM 0 H THR A 25 0.953 -8.736 -2.766 1.00 0.00 H new ATOM 0 HA THR A 25 -1.466 -9.562 -2.030 1.00 0.00 H new ATOM 0 HB THR A 25 0.331 -7.817 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.294 -9.881 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.568 -9.156 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.853 -8.260 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.646 -10.005 0.437 1.00 0.00 H new ATOM 358 N PHE A 26 -1.425 -6.266 -1.941 1.00 0.00 N ATOM 359 CA PHE A 26 -2.269 -5.079 -1.871 1.00 0.00 C ATOM 360 C PHE A 26 -2.898 -4.779 -3.229 1.00 0.00 C ATOM 361 O PHE A 26 -4.095 -4.506 -3.323 1.00 0.00 O ATOM 362 CB PHE A 26 -1.453 -3.874 -1.397 1.00 0.00 C ATOM 363 CG PHE A 26 -1.249 -3.836 0.090 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.526 -4.830 0.729 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.782 -2.807 0.850 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.336 -4.798 2.098 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.595 -2.770 2.219 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.872 -3.767 2.844 1.00 0.00 C ATOM 0 H PHE A 26 -0.447 -6.076 -2.158 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.067 -5.273 -1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.480 -3.888 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.956 -2.959 -1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.106 -5.640 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.350 -2.025 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.231 -5.579 2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.014 -1.962 2.800 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.726 -3.740 3.914 1.00 0.00 H new ATOM 378 N SER A 27 -2.083 -4.831 -4.277 1.00 0.00 N ATOM 379 CA SER A 27 -2.558 -4.561 -5.629 1.00 0.00 C ATOM 380 C SER A 27 -3.991 -5.052 -5.810 1.00 0.00 C ATOM 381 O SER A 27 -4.807 -4.395 -6.454 1.00 0.00 O ATOM 382 CB SER A 27 -1.644 -5.231 -6.657 1.00 0.00 C ATOM 383 OG SER A 27 -2.239 -5.235 -7.943 1.00 0.00 O ATOM 0 H SER A 27 -1.090 -5.058 -4.216 1.00 0.00 H new ATOM 0 HA SER A 27 -2.539 -3.482 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.690 -4.706 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.432 -6.255 -6.348 1.00 0.00 H new ATOM 0 HG SER A 27 -1.634 -5.667 -8.582 1.00 0.00 H new ATOM 389 N ALA A 28 -4.289 -6.213 -5.236 1.00 0.00 N ATOM 390 CA ALA A 28 -5.623 -6.792 -5.331 1.00 0.00 C ATOM 391 C ALA A 28 -6.695 -5.757 -5.009 1.00 0.00 C ATOM 392 O ALA A 28 -7.590 -5.504 -5.816 1.00 0.00 O ATOM 393 CB ALA A 28 -5.746 -7.989 -4.400 1.00 0.00 C ATOM 0 H ALA A 28 -3.624 -6.771 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.775 -7.126 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.747 -8.412 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.010 -8.743 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.569 -7.671 -3.373 1.00 0.00 H new ATOM 399 N PHE A 29 -6.600 -5.162 -3.825 1.00 0.00 N ATOM 400 CA PHE A 29 -7.563 -4.155 -3.396 1.00 0.00 C ATOM 401 C PHE A 29 -7.594 -2.981 -4.371 1.00 0.00 C ATOM 402 O PHE A 29 -8.641 -2.645 -4.922 1.00 0.00 O ATOM 403 CB PHE A 29 -7.220 -3.656 -1.990 1.00 0.00 C ATOM 404 CG PHE A 29 -7.084 -4.759 -0.980 1.00 0.00 C ATOM 405 CD1 PHE A 29 -5.879 -5.425 -0.820 1.00 0.00 C ATOM 406 CD2 PHE A 29 -8.160 -5.131 -0.190 1.00 0.00 C ATOM 407 CE1 PHE A 29 -5.749 -6.440 0.109 1.00 0.00 C ATOM 408 CE2 PHE A 29 -8.036 -6.145 0.741 1.00 0.00 C ATOM 409 CZ PHE A 29 -6.830 -6.801 0.890 1.00 0.00 C ATOM 0 H PHE A 29 -5.866 -5.360 -3.145 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.550 -4.617 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.287 -3.094 -2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.995 -2.965 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.031 -5.147 -1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.106 -4.623 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.804 -6.950 0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.882 -6.424 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.732 -7.595 1.616 1.00 0.00 H new ATOM 419 N GLY A 30 -6.436 -2.361 -4.577 1.00 0.00 N ATOM 420 CA GLY A 30 -6.352 -1.231 -5.484 1.00 0.00 C ATOM 421 C GLY A 30 -4.976 -1.088 -6.105 1.00 0.00 C ATOM 422 O GLY A 30 -4.024 -1.744 -5.681 1.00 0.00 O ATOM 0 H GLY A 30 -5.555 -2.621 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.094 -1.347 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.601 -0.317 -4.945 1.00 0.00 H new ATOM 426 N VAL A 31 -4.870 -0.228 -7.113 1.00 0.00 N ATOM 427 CA VAL A 31 -3.601 -0.001 -7.793 1.00 0.00 C ATOM 428 C VAL A 31 -2.651 0.817 -6.926 1.00 0.00 C ATOM 429 O VAL A 31 -3.081 1.680 -6.160 1.00 0.00 O ATOM 430 CB VAL A 31 -3.806 0.725 -9.136 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.468 1.004 -9.803 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.707 -0.091 -10.051 1.00 0.00 C ATOM 0 H VAL A 31 -5.648 0.323 -7.476 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.163 -0.981 -7.981 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.294 1.680 -8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.634 1.517 -10.750 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.861 1.632 -9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.949 0.063 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.841 0.437 -10.995 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.250 -1.062 -10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.677 -0.233 -9.574 1.00 0.00 H new ATOM 442 N ILE A 32 -1.357 0.541 -7.052 1.00 0.00 N ATOM 443 CA ILE A 32 -0.346 1.253 -6.281 1.00 0.00 C ATOM 444 C ILE A 32 0.255 2.399 -7.087 1.00 0.00 C ATOM 445 O ILE A 32 0.619 2.230 -8.252 1.00 0.00 O ATOM 446 CB ILE A 32 0.785 0.309 -5.830 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.237 -0.767 -4.891 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.894 1.099 -5.149 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.236 -1.857 -4.573 1.00 0.00 C ATOM 0 H ILE A 32 -0.985 -0.171 -7.681 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.846 1.655 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 32 1.202 -0.181 -6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.084 -0.297 -3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.647 -1.216 -5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.686 0.419 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.300 1.832 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.491 1.613 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.779 -2.585 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.539 -2.353 -5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.111 -1.420 -4.092 1.00 0.00 H new ATOM 461 N LEU A 33 0.358 3.566 -6.460 1.00 0.00 N ATOM 462 CA LEU A 33 0.916 4.742 -7.119 1.00 0.00 C ATOM 463 C LEU A 33 2.398 4.542 -7.424 1.00 0.00 C ATOM 464 O LEU A 33 2.834 4.712 -8.562 1.00 0.00 O ATOM 465 CB LEU A 33 0.727 5.980 -6.241 1.00 0.00 C ATOM 466 CG LEU A 33 -0.668 6.605 -6.255 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.748 7.755 -5.263 1.00 0.00 C ATOM 468 CD2 LEU A 33 -1.026 7.080 -7.655 1.00 0.00 C ATOM 0 H LEU A 33 0.063 3.723 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 33 0.386 4.887 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.974 5.713 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.446 6.737 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.389 5.844 -5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.748 8.187 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.537 7.385 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.017 8.518 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.022 7.522 -7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.301 7.825 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.011 6.233 -8.341 1.00 0.00 H new ATOM 480 N GLN A 34 3.164 4.179 -6.400 1.00 0.00 N ATOM 481 CA GLN A 34 4.596 3.955 -6.560 1.00 0.00 C ATOM 482 C GLN A 34 5.088 2.875 -5.603 1.00 0.00 C ATOM 483 O GLN A 34 4.593 2.750 -4.482 1.00 0.00 O ATOM 484 CB GLN A 34 5.366 5.255 -6.321 1.00 0.00 C ATOM 485 CG GLN A 34 5.193 6.278 -7.432 1.00 0.00 C ATOM 486 CD GLN A 34 6.041 5.966 -8.650 1.00 0.00 C ATOM 487 OE1 GLN A 34 5.606 5.259 -9.558 1.00 0.00 O ATOM 488 NE2 GLN A 34 7.259 6.495 -8.674 1.00 0.00 N ATOM 0 H GLN A 34 2.817 4.034 -5.452 1.00 0.00 H new ATOM 0 HA GLN A 34 4.774 3.618 -7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.037 5.695 -5.379 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.426 5.025 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.144 6.317 -7.725 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.455 7.266 -7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.578 7.076 -7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.875 6.321 -9.468 1.00 0.00 H new ATOM 497 N THR A 35 6.066 2.094 -6.052 1.00 0.00 N ATOM 498 CA THR A 35 6.624 1.023 -5.236 1.00 0.00 C ATOM 499 C THR A 35 6.622 1.399 -3.759 1.00 0.00 C ATOM 500 O THR A 35 6.955 2.521 -3.378 1.00 0.00 O ATOM 501 CB THR A 35 8.064 0.683 -5.665 1.00 0.00 C ATOM 502 OG1 THR A 35 8.112 0.447 -7.077 1.00 0.00 O ATOM 503 CG2 THR A 35 8.573 -0.544 -4.924 1.00 0.00 C ATOM 0 H THR A 35 6.488 2.183 -6.976 1.00 0.00 H new ATOM 0 HA THR A 35 5.991 0.148 -5.386 1.00 0.00 H new ATOM 0 HB THR A 35 8.703 1.530 -5.417 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.031 0.233 -7.342 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.592 -0.765 -5.243 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.562 -0.352 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.930 -1.396 -5.146 1.00 0.00 H new ATOM 511 N PRO A 36 6.238 0.439 -2.904 1.00 0.00 N ATOM 512 CA PRO A 36 6.185 0.646 -1.454 1.00 0.00 C ATOM 513 C PRO A 36 7.572 0.778 -0.835 1.00 0.00 C ATOM 514 O PRO A 36 8.521 0.124 -1.268 1.00 0.00 O ATOM 515 CB PRO A 36 5.489 -0.617 -0.941 1.00 0.00 C ATOM 516 CG PRO A 36 5.772 -1.652 -1.974 1.00 0.00 C ATOM 517 CD PRO A 36 5.827 -0.922 -3.287 1.00 0.00 C ATOM 0 HA PRO A 36 5.669 1.570 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.876 -0.914 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.417 -0.458 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.715 -2.160 -1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.994 -2.416 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.541 -1.380 -3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.859 -0.923 -3.788 1.00 0.00 H new ATOM 525 N LYS A 37 7.684 1.628 0.180 1.00 0.00 N ATOM 526 CA LYS A 37 8.955 1.845 0.860 1.00 0.00 C ATOM 527 C LYS A 37 9.021 1.047 2.158 1.00 0.00 C ATOM 528 O LYS A 37 8.061 1.018 2.929 1.00 0.00 O ATOM 529 CB LYS A 37 9.152 3.334 1.154 1.00 0.00 C ATOM 530 CG LYS A 37 9.383 4.174 -0.090 1.00 0.00 C ATOM 531 CD LYS A 37 10.860 4.258 -0.440 1.00 0.00 C ATOM 532 CE LYS A 37 11.166 5.493 -1.273 1.00 0.00 C ATOM 533 NZ LYS A 37 10.977 6.748 -0.495 1.00 0.00 N ATOM 0 H LYS A 37 6.909 2.178 0.550 1.00 0.00 H new ATOM 0 HA LYS A 37 9.753 1.502 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.275 3.711 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.002 3.454 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.834 3.744 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.988 5.177 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.451 4.280 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.156 3.365 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.193 5.441 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.519 5.509 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.554 7.506 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.974 7.023 -0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.271 6.593 0.491 1.00 0.00 H new ATOM 547 N ILE A 38 10.159 0.402 2.394 1.00 0.00 N ATOM 548 CA ILE A 38 10.350 -0.393 3.600 1.00 0.00 C ATOM 549 C ILE A 38 11.583 0.064 4.371 1.00 0.00 C ATOM 550 O ILE A 38 12.713 -0.108 3.913 1.00 0.00 O ATOM 551 CB ILE A 38 10.490 -1.891 3.270 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.243 -2.394 2.541 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.727 -2.693 4.541 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.398 -3.786 1.969 1.00 0.00 C ATOM 0 H ILE A 38 10.962 0.415 1.766 1.00 0.00 H new ATOM 0 HA ILE A 38 9.464 -0.247 4.218 1.00 0.00 H new ATOM 0 HB ILE A 38 11.350 -2.025 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.400 -2.386 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.000 -1.703 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.824 -3.750 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.642 -2.349 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.885 -2.556 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.476 -4.078 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.220 -3.796 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.610 -4.489 2.775 1.00 0.00 H new ATOM 566 N MET A 39 11.359 0.646 5.545 1.00 0.00 N ATOM 567 CA MET A 39 12.453 1.125 6.381 1.00 0.00 C ATOM 568 C MET A 39 13.289 -0.040 6.903 1.00 0.00 C ATOM 569 O MET A 39 12.750 -1.067 7.316 1.00 0.00 O ATOM 570 CB MET A 39 11.907 1.942 7.554 1.00 0.00 C ATOM 571 CG MET A 39 11.248 3.245 7.132 1.00 0.00 C ATOM 572 SD MET A 39 9.531 3.023 6.629 1.00 0.00 S ATOM 573 CE MET A 39 9.593 3.617 4.940 1.00 0.00 C ATOM 0 H MET A 39 10.430 0.797 5.938 1.00 0.00 H new ATOM 0 HA MET A 39 13.092 1.762 5.770 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.183 1.338 8.101 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.722 2.163 8.243 1.00 0.00 H new ATOM 0 HG2 MET A 39 11.292 3.954 7.959 1.00 0.00 H new ATOM 0 HG3 MET A 39 11.811 3.682 6.307 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.625 3.461 4.464 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.832 4.680 4.937 1.00 0.00 H new ATOM 0 HE3 MET A 39 10.360 3.071 4.390 1.00 0.00 H new ATOM 691 N LYS A 48 12.884 -3.604 9.199 1.00 0.00 N ATOM 692 CA LYS A 48 12.421 -3.007 10.447 1.00 0.00 C ATOM 693 C LYS A 48 11.109 -3.641 10.898 1.00 0.00 C ATOM 694 O LYS A 48 11.015 -4.177 12.001 1.00 0.00 O ATOM 695 CB LYS A 48 12.239 -1.497 10.277 1.00 0.00 C ATOM 696 CG LYS A 48 13.532 -0.711 10.410 1.00 0.00 C ATOM 697 CD LYS A 48 13.273 0.711 10.881 1.00 0.00 C ATOM 698 CE LYS A 48 14.477 1.283 11.614 1.00 0.00 C ATOM 699 NZ LYS A 48 14.288 2.721 11.953 1.00 0.00 N ATOM 0 HA LYS A 48 13.175 -3.191 11.212 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.803 -1.300 9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.527 -1.139 11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.194 -1.214 11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.046 -0.689 9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.034 1.341 10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.404 0.725 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.650 0.714 12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.367 1.170 10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.618 2.895 12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.834 3.308 11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.280 2.965 11.882 1.00 0.00 H new ATOM 713 N GLY A 49 10.098 -3.575 10.037 1.00 0.00 N ATOM 714 CA GLY A 49 8.805 -4.147 10.365 1.00 0.00 C ATOM 715 C GLY A 49 7.655 -3.357 9.775 1.00 0.00 C ATOM 716 O GLY A 49 6.680 -3.933 9.291 1.00 0.00 O ATOM 0 H GLY A 49 10.151 -3.136 9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.762 -5.173 10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.694 -4.189 11.449 1.00 0.00 H new ATOM 720 N TYR A 50 7.765 -2.034 9.816 1.00 0.00 N ATOM 721 CA TYR A 50 6.724 -1.162 9.285 1.00 0.00 C ATOM 722 C TYR A 50 7.076 -0.688 7.879 1.00 0.00 C ATOM 723 O TYR A 50 8.249 -0.583 7.522 1.00 0.00 O ATOM 724 CB TYR A 50 6.519 0.042 10.205 1.00 0.00 C ATOM 725 CG TYR A 50 7.803 0.756 10.563 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.462 1.549 9.632 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.357 0.637 11.831 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.635 2.203 9.954 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.529 1.289 12.163 1.00 0.00 C ATOM 730 CZ TYR A 50 10.165 2.070 11.220 1.00 0.00 C ATOM 731 OH TYR A 50 11.333 2.720 11.546 1.00 0.00 O ATOM 0 H TYR A 50 8.566 -1.541 10.212 1.00 0.00 H new ATOM 0 HA TYR A 50 5.797 -1.734 9.235 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.844 0.748 9.721 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.030 -0.290 11.121 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.050 1.656 8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.863 0.024 12.570 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.135 2.815 9.218 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.945 1.188 13.155 1.00 0.00 H new ATOM 0 HH TYR A 50 11.331 2.936 12.502 1.00 0.00 H new ATOM 741 N ALA A 51 6.049 -0.402 7.084 1.00 0.00 N ATOM 742 CA ALA A 51 6.248 0.064 5.717 1.00 0.00 C ATOM 743 C ALA A 51 5.163 1.055 5.312 1.00 0.00 C ATOM 744 O ALA A 51 4.070 1.062 5.879 1.00 0.00 O ATOM 745 CB ALA A 51 6.274 -1.115 4.756 1.00 0.00 C ATOM 0 H ALA A 51 5.072 -0.485 7.363 1.00 0.00 H new ATOM 0 HA ALA A 51 7.208 0.578 5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.423 -0.752 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.090 -1.786 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.328 -1.653 4.814 1.00 0.00 H new ATOM 751 N PHE A 52 5.471 1.893 4.328 1.00 0.00 N ATOM 752 CA PHE A 52 4.522 2.891 3.848 1.00 0.00 C ATOM 753 C PHE A 52 4.130 2.616 2.399 1.00 0.00 C ATOM 754 O PHE A 52 4.983 2.332 1.557 1.00 0.00 O ATOM 755 CB PHE A 52 5.121 4.294 3.968 1.00 0.00 C ATOM 756 CG PHE A 52 5.126 4.825 5.373 1.00 0.00 C ATOM 757 CD1 PHE A 52 4.038 5.527 5.867 1.00 0.00 C ATOM 758 CD2 PHE A 52 6.219 4.623 6.200 1.00 0.00 C ATOM 759 CE1 PHE A 52 4.040 6.016 7.160 1.00 0.00 C ATOM 760 CE2 PHE A 52 6.227 5.109 7.494 1.00 0.00 C ATOM 761 CZ PHE A 52 5.136 5.808 7.974 1.00 0.00 C ATOM 0 H PHE A 52 6.371 1.901 3.847 1.00 0.00 H new ATOM 0 HA PHE A 52 3.626 2.831 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.143 4.277 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.558 4.977 3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.179 5.694 5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.075 4.079 5.829 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.185 6.560 7.533 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.085 4.943 8.129 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.140 6.191 8.984 1.00 0.00 H new ATOM 771 N ILE A 53 2.835 2.702 2.117 1.00 0.00 N ATOM 772 CA ILE A 53 2.329 2.463 0.771 1.00 0.00 C ATOM 773 C ILE A 53 1.305 3.520 0.372 1.00 0.00 C ATOM 774 O ILE A 53 0.503 3.963 1.193 1.00 0.00 O ATOM 775 CB ILE A 53 1.684 1.069 0.651 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.586 0.009 1.287 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.413 0.735 -0.808 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.117 -1.408 1.045 1.00 0.00 C ATOM 0 H ILE A 53 2.117 2.935 2.803 1.00 0.00 H new ATOM 0 HA ILE A 53 3.185 2.518 0.098 1.00 0.00 H new ATOM 0 HB ILE A 53 0.733 1.078 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.597 0.121 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.640 0.187 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.957 -0.253 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.736 1.477 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.351 0.741 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.804 -2.105 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.119 -1.537 1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.090 -1.604 -0.027 1.00 0.00 H new ATOM 790 N ASN A 54 1.338 3.919 -0.895 1.00 0.00 N ATOM 791 CA ASN A 54 0.411 4.924 -1.404 1.00 0.00 C ATOM 792 C ASN A 54 -0.464 4.346 -2.512 1.00 0.00 C ATOM 793 O ASN A 54 0.040 3.814 -3.501 1.00 0.00 O ATOM 794 CB ASN A 54 1.181 6.139 -1.927 1.00 0.00 C ATOM 795 CG ASN A 54 0.393 7.427 -1.786 1.00 0.00 C ATOM 796 OD1 ASN A 54 -0.762 7.510 -2.201 1.00 0.00 O ATOM 797 ND2 ASN A 54 1.018 8.440 -1.197 1.00 0.00 N ATOM 0 H ASN A 54 1.996 3.562 -1.588 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.234 5.237 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.122 6.231 -1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.432 5.983 -2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.539 9.332 -1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.977 8.326 -0.868 1.00 0.00 H new ATOM 804 N PHE A 55 -1.777 4.455 -2.339 1.00 0.00 N ATOM 805 CA PHE A 55 -2.723 3.943 -3.323 1.00 0.00 C ATOM 806 C PHE A 55 -3.076 5.018 -4.348 1.00 0.00 C ATOM 807 O PHE A 55 -2.835 6.204 -4.127 1.00 0.00 O ATOM 808 CB PHE A 55 -3.993 3.446 -2.631 1.00 0.00 C ATOM 809 CG PHE A 55 -3.945 1.990 -2.264 1.00 0.00 C ATOM 810 CD1 PHE A 55 -4.259 1.016 -3.197 1.00 0.00 C ATOM 811 CD2 PHE A 55 -3.586 1.597 -0.985 1.00 0.00 C ATOM 812 CE1 PHE A 55 -4.216 -0.325 -2.862 1.00 0.00 C ATOM 813 CE2 PHE A 55 -3.540 0.258 -0.644 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.856 -0.704 -1.584 1.00 0.00 C ATOM 0 H PHE A 55 -2.210 4.893 -1.526 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.252 3.109 -3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.160 4.035 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.846 3.619 -3.287 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.541 1.307 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.339 2.345 -0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.464 -1.075 -3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.257 -0.036 0.356 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.821 -1.751 -1.320 1.00 0.00 H new ATOM 824 N ALA A 56 -3.648 4.592 -5.469 1.00 0.00 N ATOM 825 CA ALA A 56 -4.036 5.516 -6.528 1.00 0.00 C ATOM 826 C ALA A 56 -4.907 6.642 -5.981 1.00 0.00 C ATOM 827 O ALA A 56 -4.584 7.820 -6.134 1.00 0.00 O ATOM 828 CB ALA A 56 -4.766 4.772 -7.636 1.00 0.00 C ATOM 0 H ALA A 56 -3.853 3.613 -5.668 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.130 5.960 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.050 5.474 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.111 4.007 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.661 4.301 -7.230 1.00 0.00 H new ATOM 834 N SER A 57 -6.013 6.273 -5.344 1.00 0.00 N ATOM 835 CA SER A 57 -6.933 7.252 -4.778 1.00 0.00 C ATOM 836 C SER A 57 -7.258 6.917 -3.326 1.00 0.00 C ATOM 837 O SER A 57 -6.786 5.916 -2.787 1.00 0.00 O ATOM 838 CB SER A 57 -8.222 7.308 -5.602 1.00 0.00 C ATOM 839 OG SER A 57 -8.115 8.252 -6.653 1.00 0.00 O ATOM 0 H SER A 57 -6.294 5.302 -5.207 1.00 0.00 H new ATOM 0 HA SER A 57 -6.449 8.228 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.436 6.322 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.059 7.572 -4.956 1.00 0.00 H new ATOM 0 HG SER A 57 -8.950 8.267 -7.165 1.00 0.00 H new ATOM 845 N PHE A 58 -8.069 7.763 -2.697 1.00 0.00 N ATOM 846 CA PHE A 58 -8.457 7.558 -1.307 1.00 0.00 C ATOM 847 C PHE A 58 -9.286 6.286 -1.155 1.00 0.00 C ATOM 848 O PHE A 58 -9.121 5.536 -0.193 1.00 0.00 O ATOM 849 CB PHE A 58 -9.252 8.762 -0.795 1.00 0.00 C ATOM 850 CG PHE A 58 -8.725 10.080 -1.285 1.00 0.00 C ATOM 851 CD1 PHE A 58 -9.103 10.576 -2.522 1.00 0.00 C ATOM 852 CD2 PHE A 58 -7.851 10.824 -0.508 1.00 0.00 C ATOM 853 CE1 PHE A 58 -8.619 11.788 -2.975 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.364 12.037 -0.956 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.749 12.520 -2.191 1.00 0.00 C ATOM 0 H PHE A 58 -8.469 8.596 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.548 7.451 -0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.292 8.658 -1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.241 8.758 0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.784 10.009 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.547 10.451 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.921 12.163 -3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.683 12.607 -0.341 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.371 13.468 -2.543 1.00 0.00 H new ATOM 865 N ASP A 59 -10.177 6.050 -2.112 1.00 0.00 N ATOM 866 CA ASP A 59 -11.032 4.869 -2.086 1.00 0.00 C ATOM 867 C ASP A 59 -10.206 3.605 -1.863 1.00 0.00 C ATOM 868 O ASP A 59 -10.440 2.859 -0.913 1.00 0.00 O ATOM 869 CB ASP A 59 -11.820 4.754 -3.392 1.00 0.00 C ATOM 870 CG ASP A 59 -10.918 4.707 -4.610 1.00 0.00 C ATOM 871 OD1 ASP A 59 -9.871 5.388 -4.599 1.00 0.00 O ATOM 872 OD2 ASP A 59 -11.259 3.990 -5.574 1.00 0.00 O ATOM 0 H ASP A 59 -10.326 6.661 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.732 4.976 -1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.435 3.854 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.499 5.602 -3.479 1.00 0.00 H new ATOM 877 N ALA A 60 -9.241 3.372 -2.746 1.00 0.00 N ATOM 878 CA ALA A 60 -8.381 2.200 -2.645 1.00 0.00 C ATOM 879 C ALA A 60 -7.820 2.050 -1.235 1.00 0.00 C ATOM 880 O ALA A 60 -7.790 0.950 -0.683 1.00 0.00 O ATOM 881 CB ALA A 60 -7.249 2.287 -3.659 1.00 0.00 C ATOM 0 H ALA A 60 -9.035 3.979 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.983 1.318 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.614 1.405 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.665 2.337 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.656 3.181 -3.466 1.00 0.00 H new ATOM 887 N SER A 61 -7.377 3.162 -0.658 1.00 0.00 N ATOM 888 CA SER A 61 -6.813 3.153 0.687 1.00 0.00 C ATOM 889 C SER A 61 -7.836 2.649 1.701 1.00 0.00 C ATOM 890 O SER A 61 -7.496 1.912 2.627 1.00 0.00 O ATOM 891 CB SER A 61 -6.342 4.556 1.074 1.00 0.00 C ATOM 892 OG SER A 61 -5.018 4.791 0.628 1.00 0.00 O ATOM 0 H SER A 61 -7.398 4.081 -1.101 1.00 0.00 H new ATOM 0 HA SER A 61 -5.958 2.476 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.012 5.300 0.642 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.391 4.674 2.157 1.00 0.00 H new ATOM 0 HG SER A 61 -4.741 5.695 0.886 1.00 0.00 H new ATOM 898 N ASP A 62 -9.088 3.053 1.519 1.00 0.00 N ATOM 899 CA ASP A 62 -10.162 2.642 2.417 1.00 0.00 C ATOM 900 C ASP A 62 -10.339 1.127 2.395 1.00 0.00 C ATOM 901 O ASP A 62 -10.437 0.489 3.443 1.00 0.00 O ATOM 902 CB ASP A 62 -11.472 3.327 2.026 1.00 0.00 C ATOM 903 CG ASP A 62 -12.426 3.464 3.196 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.091 4.196 4.151 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.506 2.838 3.158 1.00 0.00 O ATOM 0 H ASP A 62 -9.385 3.664 0.758 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.892 2.943 3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.255 4.315 1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.954 2.756 1.233 1.00 0.00 H new ATOM 910 N ALA A 63 -10.379 0.558 1.195 1.00 0.00 N ATOM 911 CA ALA A 63 -10.543 -0.882 1.037 1.00 0.00 C ATOM 912 C ALA A 63 -9.639 -1.646 1.999 1.00 0.00 C ATOM 913 O ALA A 63 -10.087 -2.557 2.694 1.00 0.00 O ATOM 914 CB ALA A 63 -10.255 -1.291 -0.400 1.00 0.00 C ATOM 0 H ALA A 63 -10.300 1.072 0.318 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.577 -1.134 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.381 -2.369 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.946 -0.779 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.231 -1.019 -0.657 1.00 0.00 H new ATOM 920 N ALA A 64 -8.365 -1.268 2.032 1.00 0.00 N ATOM 921 CA ALA A 64 -7.399 -1.918 2.910 1.00 0.00 C ATOM 922 C ALA A 64 -7.779 -1.735 4.375 1.00 0.00 C ATOM 923 O ALA A 64 -7.974 -2.709 5.102 1.00 0.00 O ATOM 924 CB ALA A 64 -6.002 -1.372 2.652 1.00 0.00 C ATOM 0 H ALA A 64 -7.978 -0.516 1.462 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.406 -2.986 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.290 -1.866 3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.724 -1.560 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.990 -0.299 2.842 1.00 0.00 H new ATOM 930 N ILE A 65 -7.881 -0.481 4.803 1.00 0.00 N ATOM 931 CA ILE A 65 -8.237 -0.171 6.182 1.00 0.00 C ATOM 932 C ILE A 65 -9.468 -0.957 6.621 1.00 0.00 C ATOM 933 O ILE A 65 -9.714 -1.127 7.815 1.00 0.00 O ATOM 934 CB ILE A 65 -8.509 1.333 6.369 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.247 2.143 6.063 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.994 1.612 7.784 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.515 3.614 5.834 1.00 0.00 C ATOM 0 H ILE A 65 -7.722 0.337 4.214 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.386 -0.457 6.800 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.291 1.636 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.545 2.034 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.764 1.728 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.182 2.679 7.900 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.915 1.059 7.969 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.233 1.298 8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.576 4.126 5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.192 3.733 4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.970 4.044 6.726 1.00 0.00 H new ATOM 949 N GLU A 66 -10.237 -1.435 5.648 1.00 0.00 N ATOM 950 CA GLU A 66 -11.442 -2.204 5.935 1.00 0.00 C ATOM 951 C GLU A 66 -11.112 -3.682 6.125 1.00 0.00 C ATOM 952 O GLU A 66 -11.471 -4.283 7.137 1.00 0.00 O ATOM 953 CB GLU A 66 -12.460 -2.039 4.805 1.00 0.00 C ATOM 954 CG GLU A 66 -13.886 -2.368 5.217 1.00 0.00 C ATOM 955 CD GLU A 66 -14.897 -2.035 4.137 1.00 0.00 C ATOM 956 OE1 GLU A 66 -15.064 -2.851 3.207 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.521 -0.956 4.222 1.00 0.00 O ATOM 0 H GLU A 66 -10.047 -1.303 4.655 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.873 -1.824 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.424 -1.012 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.174 -2.682 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.955 -3.429 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.134 -1.817 6.124 1.00 0.00 H new ATOM 964 N ALA A 67 -10.427 -4.260 5.144 1.00 0.00 N ATOM 965 CA ALA A 67 -10.047 -5.666 5.203 1.00 0.00 C ATOM 966 C ALA A 67 -8.601 -5.825 5.661 1.00 0.00 C ATOM 967 O ALA A 67 -8.331 -6.438 6.693 1.00 0.00 O ATOM 968 CB ALA A 67 -10.249 -6.325 3.847 1.00 0.00 C ATOM 0 H ALA A 67 -10.124 -3.776 4.299 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.688 -6.160 5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.961 -7.375 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.298 -6.252 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.633 -5.821 3.102 1.00 0.00 H new ATOM 974 N MET A 68 -7.675 -5.270 4.886 1.00 0.00 N ATOM 975 CA MET A 68 -6.257 -5.350 5.213 1.00 0.00 C ATOM 976 C MET A 68 -6.022 -5.058 6.692 1.00 0.00 C ATOM 977 O MET A 68 -5.195 -5.699 7.337 1.00 0.00 O ATOM 978 CB MET A 68 -5.457 -4.369 4.354 1.00 0.00 C ATOM 979 CG MET A 68 -5.012 -4.951 3.022 1.00 0.00 C ATOM 980 SD MET A 68 -3.423 -5.796 3.129 1.00 0.00 S ATOM 981 CE MET A 68 -3.955 -7.502 3.255 1.00 0.00 C ATOM 0 H MET A 68 -7.882 -4.760 4.027 1.00 0.00 H new ATOM 0 HA MET A 68 -5.919 -6.365 5.003 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.063 -3.482 4.169 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.578 -4.044 4.911 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.768 -5.651 2.665 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.945 -4.151 2.285 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.352 -8.121 2.591 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.833 -7.846 4.282 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.004 -7.578 2.969 1.00 0.00 H new ATOM 991 N ASN A 69 -6.756 -4.085 7.221 1.00 0.00 N ATOM 992 CA ASN A 69 -6.627 -3.707 8.624 1.00 0.00 C ATOM 993 C ASN A 69 -6.831 -4.914 9.534 1.00 0.00 C ATOM 994 O ASN A 69 -7.953 -5.224 9.930 1.00 0.00 O ATOM 995 CB ASN A 69 -7.639 -2.614 8.975 1.00 0.00 C ATOM 996 CG ASN A 69 -7.652 -2.292 10.457 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.602 -2.188 11.090 1.00 0.00 O ATOM 998 ND2 ASN A 69 -8.846 -2.135 11.017 1.00 0.00 N ATOM 0 H ASN A 69 -7.446 -3.544 6.700 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.619 -3.323 8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.404 -1.711 8.412 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.635 -2.932 8.666 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.919 -1.919 12.011 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.690 -2.230 10.453 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.735 -5.593 9.862 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.814 -6.759 10.722 1.00 0.00 C ATOM 1007 C GLY A 70 -5.481 -8.044 9.991 1.00 0.00 C ATOM 1008 O GLY A 70 -5.021 -9.010 10.598 1.00 0.00 O ATOM 0 H GLY A 70 -4.794 -5.356 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.129 -6.634 11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.819 -6.832 11.138 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.716 -8.055 8.682 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.441 -9.233 7.868 1.00 0.00 C ATOM 1014 C GLN A 71 -4.224 -9.986 8.395 1.00 0.00 C ATOM 1015 O GLN A 71 -3.183 -9.389 8.670 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.213 -8.829 6.410 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.482 -8.834 5.573 1.00 0.00 C ATOM 1018 CD GLN A 71 -6.938 -10.234 5.212 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -7.727 -10.845 6.088 1.00 0.00 O flip ATOM 1020 NE2 GLN A 71 -6.583 -10.762 4.157 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.096 -7.263 8.164 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.307 -9.893 7.924 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.773 -7.832 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.489 -9.510 5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.276 -8.327 6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.312 -8.264 4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.976 -10.256 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.896 -11.705 3.928 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.362 -11.300 8.533 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.274 -12.135 9.030 1.00 0.00 C ATOM 1031 C TYR A 72 -2.269 -12.435 7.923 1.00 0.00 C ATOM 1032 O TYR A 72 -2.551 -13.203 7.002 1.00 0.00 O ATOM 1033 CB TYR A 72 -3.827 -13.442 9.600 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.014 -13.992 10.751 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.175 -13.497 12.040 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.085 -15.004 10.550 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.434 -13.996 13.094 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.341 -15.510 11.598 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.519 -15.002 12.868 1.00 0.00 C ATOM 1040 OH TYR A 72 -0.779 -15.502 13.915 1.00 0.00 O ATOM 0 H TYR A 72 -5.216 -11.810 8.308 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.762 -11.588 9.822 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.851 -13.278 9.935 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.867 -14.187 8.805 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.891 -12.709 12.221 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.942 -15.403 9.557 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.571 -13.600 14.089 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.624 -16.299 11.424 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.182 -16.206 13.587 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.093 -11.824 8.019 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.043 -12.025 7.027 1.00 0.00 C ATOM 1052 C LEU A 73 0.979 -13.047 7.515 1.00 0.00 C ATOM 1053 O LEU A 73 0.925 -13.495 8.661 1.00 0.00 O ATOM 1054 CB LEU A 73 0.654 -10.699 6.716 1.00 0.00 C ATOM 1055 CG LEU A 73 1.405 -10.631 5.386 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.539 -11.165 4.256 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.845 -9.203 5.095 1.00 0.00 C ATOM 0 H LEU A 73 -0.843 -11.185 8.774 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.506 -12.407 6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.094 -9.907 6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.359 -10.485 7.520 1.00 0.00 H new ATOM 0 HG LEU A 73 2.295 -11.256 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.090 -11.109 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.274 -12.203 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.369 -10.567 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.378 -9.173 4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.969 -8.556 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.503 -8.856 5.891 1.00 0.00 H new ATOM 1069 N CYS A 74 1.911 -13.409 6.640 1.00 0.00 N ATOM 1070 CA CYS A 74 2.947 -14.377 6.982 1.00 0.00 C ATOM 1071 C CYS A 74 3.234 -14.358 8.480 1.00 0.00 C ATOM 1072 O CYS A 74 4.066 -13.585 8.953 1.00 0.00 O ATOM 1073 CB CYS A 74 4.228 -14.081 6.201 1.00 0.00 C ATOM 1074 SG CYS A 74 4.070 -14.300 4.414 1.00 0.00 S ATOM 0 H CYS A 74 1.970 -13.047 5.688 1.00 0.00 H new ATOM 0 HA CYS A 74 2.587 -15.370 6.712 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.536 -13.056 6.405 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.022 -14.731 6.567 1.00 0.00 H new ATOM 0 HG CYS A 74 5.204 -14.024 3.841 1.00 0.00 H new ATOM 1080 N ASN A 75 2.539 -15.215 9.221 1.00 0.00 N ATOM 1081 CA ASN A 75 2.718 -15.296 10.666 1.00 0.00 C ATOM 1082 C ASN A 75 2.986 -13.916 11.259 1.00 0.00 C ATOM 1083 O ASN A 75 3.942 -13.728 12.012 1.00 0.00 O ATOM 1084 CB ASN A 75 3.870 -16.242 11.006 1.00 0.00 C ATOM 1085 CG ASN A 75 5.194 -15.769 10.438 1.00 0.00 C ATOM 1086 OD1 ASN A 75 5.523 -16.048 9.285 1.00 0.00 O ATOM 1087 ND2 ASN A 75 5.961 -15.048 11.248 1.00 0.00 N ATOM 0 H ASN A 75 1.847 -15.863 8.845 1.00 0.00 H new ATOM 0 HA ASN A 75 1.797 -15.686 11.100 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.954 -16.333 12.089 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.646 -17.236 10.619 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.863 -14.701 10.922 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.648 -14.841 12.196 1.00 0.00 H new ATOM 1094 N ARG A 76 2.136 -12.954 10.915 1.00 0.00 N ATOM 1095 CA ARG A 76 2.282 -11.591 11.412 1.00 0.00 C ATOM 1096 C ARG A 76 1.080 -10.737 11.018 1.00 0.00 C ATOM 1097 O ARG A 76 0.860 -10.435 9.845 1.00 0.00 O ATOM 1098 CB ARG A 76 3.567 -10.963 10.871 1.00 0.00 C ATOM 1099 CG ARG A 76 4.808 -11.332 11.668 1.00 0.00 C ATOM 1100 CD ARG A 76 5.815 -10.193 11.690 1.00 0.00 C ATOM 1101 NE ARG A 76 7.167 -10.663 11.978 1.00 0.00 N ATOM 1102 CZ ARG A 76 7.636 -10.844 13.208 1.00 0.00 C ATOM 1103 NH1 ARG A 76 6.866 -10.595 14.258 1.00 0.00 N ATOM 1104 NH2 ARG A 76 8.878 -11.275 13.389 1.00 0.00 N ATOM 0 H ARG A 76 1.339 -13.093 10.294 1.00 0.00 H new ATOM 0 HA ARG A 76 2.336 -11.631 12.500 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.705 -11.274 9.835 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.457 -9.879 10.867 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.524 -11.587 12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.270 -12.219 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.806 -9.683 10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.518 -9.461 12.441 1.00 0.00 H new ATOM 0 HE ARG A 76 7.785 -10.863 11.192 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.911 -10.264 14.123 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.229 -10.735 15.201 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.473 -11.468 12.584 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.237 -11.414 14.334 1.00 0.00 H new ATOM 1118 N PRO A 77 0.283 -10.339 12.020 1.00 0.00 N ATOM 1119 CA PRO A 77 -0.910 -9.514 11.802 1.00 0.00 C ATOM 1120 C PRO A 77 -0.561 -8.090 11.383 1.00 0.00 C ATOM 1121 O PRO A 77 0.009 -7.326 12.161 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.596 -9.515 13.171 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.498 -9.765 14.145 1.00 0.00 C ATOM 1124 CD PRO A 77 0.484 -10.661 13.442 1.00 0.00 C ATOM 0 HA PRO A 77 -1.533 -9.903 10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.090 -8.563 13.367 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.361 -10.289 13.230 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.026 -8.831 14.449 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.879 -10.238 15.050 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.508 -10.461 13.758 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.286 -11.713 13.648 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.908 -7.741 10.148 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.632 -6.408 9.627 1.00 0.00 C ATOM 1134 C ILE A 78 -1.763 -5.442 9.963 1.00 0.00 C ATOM 1135 O ILE A 78 -2.891 -5.857 10.233 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.430 -6.432 8.100 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.740 -6.790 7.395 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.666 -7.419 7.726 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.690 -6.601 5.895 1.00 0.00 C ATOM 0 H ILE A 78 -1.380 -8.362 9.491 1.00 0.00 H new ATOM 0 HA ILE A 78 0.288 -6.067 10.102 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.124 -5.438 7.774 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.989 -7.828 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.543 -6.176 7.804 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.797 -7.425 6.644 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.600 -7.123 8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.387 -8.417 8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.652 -6.874 5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.472 -5.558 5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.910 -7.235 5.474 1.00 0.00 H new ATOM 1151 N THR A 79 -1.455 -4.149 9.944 1.00 0.00 N ATOM 1152 CA THR A 79 -2.444 -3.122 10.246 1.00 0.00 C ATOM 1153 C THR A 79 -2.382 -1.983 9.234 1.00 0.00 C ATOM 1154 O THR A 79 -1.313 -1.655 8.719 1.00 0.00 O ATOM 1155 CB THR A 79 -2.244 -2.548 11.661 1.00 0.00 C ATOM 1156 OG1 THR A 79 -3.216 -1.529 11.918 1.00 0.00 O ATOM 1157 CG2 THR A 79 -0.845 -1.973 11.819 1.00 0.00 C ATOM 0 H THR A 79 -0.527 -3.788 9.722 1.00 0.00 H new ATOM 0 HA THR A 79 -3.422 -3.600 10.191 1.00 0.00 H new ATOM 0 HB THR A 79 -2.369 -3.358 12.379 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.083 -1.170 12.820 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.727 -1.574 12.826 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.108 -2.758 11.652 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.696 -1.174 11.092 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.534 -1.382 8.954 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.609 -0.278 8.006 1.00 0.00 C ATOM 1167 C VAL A 80 -4.335 0.918 8.611 1.00 0.00 C ATOM 1168 O VAL A 80 -5.506 0.827 8.978 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.329 -0.699 6.711 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.292 0.427 5.688 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.707 -1.966 6.143 1.00 0.00 C ATOM 0 H VAL A 80 -4.428 -1.642 9.371 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.584 0.005 7.768 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.372 -0.908 6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.806 0.111 4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.788 1.307 6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.256 0.671 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.228 -2.249 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.655 -1.787 5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.792 -2.771 6.873 1.00 0.00 H new ATOM 1181 N SER A 81 -3.630 2.041 8.712 1.00 0.00 N ATOM 1182 CA SER A 81 -4.206 3.256 9.277 1.00 0.00 C ATOM 1183 C SER A 81 -3.597 4.497 8.631 1.00 0.00 C ATOM 1184 O SER A 81 -2.378 4.601 8.486 1.00 0.00 O ATOM 1185 CB SER A 81 -3.985 3.295 10.790 1.00 0.00 C ATOM 1186 OG SER A 81 -4.933 2.486 11.465 1.00 0.00 O ATOM 0 H SER A 81 -2.660 2.134 8.410 1.00 0.00 H new ATOM 0 HA SER A 81 -5.277 3.249 9.073 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.977 2.951 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.061 4.323 11.145 1.00 0.00 H new ATOM 0 HG SER A 81 -5.344 1.864 10.829 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.453 5.435 8.244 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.001 6.669 7.611 1.00 0.00 C ATOM 1194 C TYR A 82 -2.785 7.238 8.334 1.00 0.00 C ATOM 1195 O TYR A 82 -2.743 7.280 9.563 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.129 7.701 7.594 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.013 7.613 6.371 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.515 7.903 5.107 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.347 7.239 6.479 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.320 7.824 3.987 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.159 7.157 5.365 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.641 7.451 4.121 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.445 7.370 3.007 1.00 0.00 O ATOM 0 H TYR A 82 -5.464 5.365 8.357 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.715 6.438 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.743 7.571 8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.697 8.700 7.648 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.481 8.195 4.998 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.756 7.008 7.452 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.917 8.053 3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.194 6.864 5.467 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.346 7.093 3.274 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.797 7.677 7.561 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.580 8.247 8.127 1.00 0.00 C ATOM 1215 C ALA A 83 -0.882 9.527 8.900 1.00 0.00 C ATOM 1216 O ALA A 83 -0.499 9.667 10.061 1.00 0.00 O ATOM 1217 CB ALA A 83 0.436 8.519 7.028 1.00 0.00 C ATOM 0 H ALA A 83 -1.815 7.649 6.542 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.159 7.523 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.339 8.944 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.683 7.586 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.015 9.222 6.309 1.00 0.00 H new